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	hartrees
Energy at 0K	-189.196159
Energy at 298.15K	-189.193760
HF Energy	-189.196159
Nuclear repulsion energy	76.067905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2366	2275	1661.02
2	Σ	1989	1912	45.77
3	Σ	973	936	2.00
4	Π	587	565	23.68
4	Π	587	565	23.68
5	Π	104	100	5.25
5	Π	104	100	5.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.041
C2	0.000	0.000	-0.761
C3	0.000	0.000	0.542
O4	0.000	0.000	1.695

	C1	C2	C3	O4
C1		1.2796	2.5830	3.7352
C2	1.2796		1.3034	2.4556
C3	2.5830	1.3034		1.1522
O4	3.7352	2.4556	1.1522

Number	Element	Mulliken
1	C	-0.786
2	C	0.720
3	C	0.287
4	O	-0.221

All results from a given calculation for C₃O (Tricarbon monoxide)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	68.394
(<r²>)^1/2	8.270

All results from a given calculation for C3O (Tricarbon monoxide)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃O (Tricarbon monoxide)